Qianqian Wang

发表

Understanding the recognition mechanisms of Zα domain of human editing enzyme ADAR1 (hZαADAR1) and various Z-DNAs from molecular dynamics simulation

Huanxiang Liu, X. Yao, Lanlan Li, 2014, Journal of Molecular Modeling.

Selective inhibition mechanism of RVX-208 to the second bromodomain of bromo and extraterminal proteins: insight from microsecond molecular dynamics simulations

Y. Li, Qianqian Wang, Liang Liu, 2017, Scientific Reports.

Exploring the thermodynamic, kinetic and inhibitory mechanisms of 5-iTU targeting mitotic kinase haspin by integrated molecular dynamics.

Qianqian Wang, E. Leung, Xiaojun Yao, 2021, Physical chemistry chemical physics : PCCP.

Molecular dynamics simulation on the inhibition mechanism of peptide‐based inhibitor of islet amyloid polypeptide (IAPP) to islet amyloid polypeptide (IAPP22–28) oligomers

Shuangyan Zhou, Huanxiang Liu, X. Yao, 2017, Chemical biology & drug design.

Identification of a Novel Protein Arginine Methyltransferase 5 Inhibitor in Non-small Cell Lung Cancer by Structure-Based Virtual Screening

Y. Li, Qianqian Wang, Liang Liu, 2018, Front. Pharmacol..

Structure-Based Discovery and Biological Assays of a Novel PRMT5 Inhibitor for Non-Small Cell Lung Cancer

Qianqian Wang, Xiaojun Yao, Yingqing Chen, 2022, Molecules.

Gossypol Inhibits Non-small Cell Lung Cancer Cells Proliferation by Targeting EGFRL858R/T790M

Qianqian Wang, Liang Liu, Yu-wei Wang, 2018, Front. Pharmacol..

Selectively targeting individual bromodomain: drug discovery and molecular mechanisms.

Qianqian Wang, E. Leung, Xiaojun Yao, 2021, Pharmacological research.

The Molecular Mechanism of Bisphenol A (BPA) as an Endocrine Disruptor by Interacting with Nuclear Receptors: Insights from Molecular Dynamics (MD) Simulations

Huanxiang Liu, X. Yao, Lanlan Li, 2015, PloS one.

Compound C620-0696, a new potent inhibitor targeting BPTF, the chromatin-remodeling factor in non-small-cell lung cancer

Qianqian Wang, Liang Liu, Jiahui Xu, 2019, Frontiers of Medicine.

Identification of a potent kinase inhibitor targeting EML4-ALK fusion protein in non-small cell lung cancer.

Qianqian Wang, Liang Liu, Jiahui Xu, 2017, MedChemComm.

Effects of the A117V mutation on the folding and aggregation of palindromic sequences (PrP113-120) in prion: insights from replica exchange molecular dynamics simulations.

Huanxiang Liu, X. Yao, Qianqian Wang, 2015, Molecular bioSystems.

Discovery of a novel protein kinase C activator from Croton tiglium for inhibition of non-small cell lung cancer.

Sheng Yao, Qianqian Wang, Chunping Tang, 2019, Phytomedicine : international journal of phytotherapy and phytopharmacology.

The adsorption mechanism and induced conformational changes of three typical proteins with different secondary structural features on graphene

Lulu Ning, Huanxiang Liu, Xiaojun Yao, 2014 .

Plumbagin suppresses non-small cell lung cancer progression through downregulating ARF1 and by elevating CD8+ cells.

Qianqian Wang, E. Leung, Xiaojun Yao, 2021, Pharmacological research.

Molecular mechanism of the inhibition and remodeling of human islet amyloid polypeptide (hIAPP(1-37)) oligomer by resveratrol from molecular dynamics simulation.

Huanxiang Liu, X. Yao, Qianqian Wang, 2015, The journal of physical chemistry. B.

Selective inhibition mechanism of RVX-208 to the second bromodomain of bromo and extraterminal proteins: insight from microsecond molecular dynamics simulations

Y. Li, Qianqian Wang, Liang Liu, 2017, Scientific Reports.

The folding mechanism and key metastable state identification of the PrP127-147 monomer studied by molecular dynamics simulations and Markov state model analysis.

Shuangyan Zhou, Huanxiang Liu, X. Yao, 2017, Physical chemistry chemical physics : PCCP.

Exploring the Influence of EGCG on the β-Sheet-Rich Oligomers of Human Islet Amyloid Polypeptide (hIAPP1–37) and Identifying Its Possible Binding Sites from Molecular Dynamics Simulation

Huanxiang Liu, X. Yao, Qianqian Wang, 2014, PloS one.

Molecular mechanism of the inhibition and remodeling of human islet amyloid polypeptide (hIAPP(1-37)) oligomer by resveratrol from molecular dynamics simulation.

Huanxiang Liu, X. Yao, Qianqian Wang, 2015, The journal of physical chemistry. B.

Computational insights into the inhibition and destabilization of morin on the oligomer of full-length human islet amyloid polypeptide.

Zhide Hu, Shuangyan Zhou, Huanxiang Liu, 2015, Physical chemistry chemical physics : PCCP.

Unraveling the allosteric inhibition mechanism of PARP-1 CAT and the D766/770A mutation effects via Gaussian accelerated molecular dynamics and Markov state model

Qianqian Wang, Mingyu Zhang, Xiaojun Yao, 2023, Comput. Biol. Medicine.